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  • 3-Chloro-4-(3-fluorobenzyloxy)nitrobenzene
Name:3-Chloro-4-(3-fluorobenzyloxy)nitrobenzene
CAS No:443882-99-3

PRODUCT DESCRIPTION

【Name】
3-Chloro-4-(3-fluorobenzyloxy)nitrobenzene
【CAS Registry number】
443882-99-3
【Synonyms】
2-Chloro-1-[(3-fluorobenzyl)oxy]-4-nitrobenzene
2-Chloro-4-nitrophenyl 3-fluorobenzyl ether
2-chloro-1-(3-fluorobenzyloxy)-4-nitrobenzene
benzene, 2-chloro-1-[(3-fluorophenyl)methoxy]-4-nitro-
【Molecular Formula】
C13H9ClFNO3 (Products with the same molecular formula)
【Molecular Weight】
281.67
【Inchi】
InChI=1/C13H9ClFNO3/c14-12-7-11(16(17)18)4-5-13(12)19-8-9-2-1-3-10(15)6-9/h1-7H,8H2
【MOL File】
443882-99-3.mol

Chemical and Physical Properties

【Density】
1.393 g/cm3
【Boiling Point】
400.5 °C at 760 mmHg
【Refractive Index】
1.596
【Flash Point】
400.5 °C at 760 mmHg

Safety and Handling

【Specification】

The 3-Chloro-4-(3-fluorobenzyloxy)nitrobenzene with the cas number 443882-99-3, is also called 2-chloro-1-[(3-fluorobenzyl)oxy]-4-nitrobenzene. The properties of the chemical are: (1)ACD/LogP: 4.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.38; (4)ACD/LogD (pH 7.4): 4.38; (5)ACD/BCF (pH 5.5): 1247.82; (6)ACD/BCF (pH 7.4): 1247.82; (7)ACD/KOC (pH 5.5): 5725.64; (8)ACD/KOC (pH 7.4): 5725.64; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.05 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 68.85 cm3; (15)Molar Volume: 202.1 cm3; (16)Polarizability: 27.29×10-24cm3; (17)Surface Tension: 48.9 dyne/cm; (18)Enthalpy of Vaporization: 62.6 kJ/mol; (19)Vapour Pressure: 2.92×10-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(ccc2OCc1cccc(F)c1)[N+]([O-])=O
(2)InChI: InChI=1/C13H9ClFNO3/c14-12-7-11(16(17)18)4-5-13(12)19-8-9-2-1-3-10(15)6-9/h1-7H,8H2

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